4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride

C21H34Cl2N4O3 — CID 120645940

IUPAC4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NC(C)C(=O)Nc2cccc(N3CCCC3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H32N4O3.2ClH/c1-16(23-20(27)21(15-28-2)8-10-22-11-9-21)19(26)24-17-6-5-7-18(14-17)25-12-3-4-13-25;;/h5-7,14,16,22H,3-4,8-13,15H2,1-2H3,(H,23,27)(H,24,26);2*1H
InChIKeyHFFLPCSUULLHNC-UHFFFAOYSA-N
MW461.43 g/mol
LogP2.59
Rot. Bonds7

About 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride

4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120645940) has the molecular formula C21H34Cl2N4O3 and a molecular weight of 461.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120645940
Molecular FormulaC21H34Cl2N4O3
Molecular Weight461.43 g/mol
Exact Mass460.20
IUPAC Name4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NC(C)C(=O)Nc2cccc(N3CCCC3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H32N4O3.2ClH/c1-16(23-20(27)21(15-28-2)8-10-22-11-9-21)19(26)24-17-6-5-7-18(14-17)25-12-3-4-13-25;;/h5-7,14,16,22H,3-4,8-13,15H2,1-2H3,(H,23,27)(H,24,26);2*1H
InChIKeyHFFLPCSUULLHNC-UHFFFAOYSA-N
XLogP2.59
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
CID 119872921
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791
4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 120617842
(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
CID 124591800
3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride (CID 120645940) is 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NC(C)C(=O)Nc2cccc(N3CCCC3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is HFFLPCSUULLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3.2ClH/c1-16(23-20(27)21(15-28-2)8-10-22-11-9-21)19(26)24-17-6-5-7-18(14-17)25-12-3-4-13-25;;/h5-7,14,16,22H,3-4,8-13,15H2,1-2H3,(H,23,27)(H,24,26);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 461.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120645940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).